Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Pantetheinase' and Ligand = 'BDBM395085'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Pantetheinase (Homo sapiens (Human))	BDBM395085 (US10308615, Example 96 | {2-[(4- fluorobenzyl) ami...) Show SMILES CS(=O)(=O)c1cccc(c1)C(=O)c1cnc(NCc2ccc(F)cc2)nc1 Show InChI InChI=1S/C19H16FN3O3S/c1-27(25,26)17-4-2-3-14(9-17)18(24)15-11-22-19(23-12-15)21-10-13-5-7-16(20)8-6-13/h2-9,11-12H,10H2,1H3,(H,21,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	14.2	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter...				Bioorg Med Chem Lett 19: 3664-8 (2009) BindingDB Entry DOI: 10.7270/Q22809Z8
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM395085 (US10308615, Example 96 | {2-[(4- fluorobenzyl) ami...) Show SMILES CS(=O)(=O)c1cccc(c1)C(=O)c1cnc(NCc2ccc(F)cc2)nc1 Show InChI InChI=1S/C19H16FN3O3S/c1-27(25,26)17-4-2-3-14(9-17)18(24)15-11-22-19(23-12-15)21-10-13-5-7-16(20)8-6-13/h2-9,11-12H,10H2,1H3,(H,21,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	415	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The vanin-1 protein was prepared in-house from a construct expressing the extracellular domain of human vanin-1 (GenBank ID NM_004666) preceded N-ter...				Bioorg Med Chem Lett 19: 3664-8 (2009) BindingDB Entry DOI: 10.7270/Q22809Z8
					More data for this Ligand-Target Pair